Journal of Physical Chemistry, 2002, V 106, N 17, May 02.

FEATURE ARTICLE


Allyl-A Model System for the Chemical Dynamics of Radicals
Ingo Fischer and Peter Chen
pp 4291 - 4300; 

ARTICLES

DYNAMICS AND RELAXATION

Formation of Three C4H3N Isomers from the Reaction of CN (X2 
 +) with Allene, H2CCCH2 (X1A1), 
and Methylacetylene, CH3CCH (X1A1): A Combined Crossed Beam and Ab Initio Study
N. Balucani, O. Asvany, R.-I. Kaiser, and Y. Osamura
pp 4301 - 4311; 

Ultrafast Energy Transfer in Binuclear Ruthenium-Osmium Complexes as Models for 
Light-harvesting Antennas
Helena Berglund Baudin, Jan Davidsson, Scolastica Serroni, Alberto Juris, 
Vincenzo Balzani, Sebastiano Campagna, and Leif Hammarstro"m
pp 4312 - 4319; 

Vibronic Resonances Arising from Conically Intersecting Electronic States
Ronald S. Friedman, Iwona Podzielinski, Lorenz S. Cederbaum, Victor M. Ryaboy, 
and Nimrod Moiseyev
pp 4320 - 4335; 

Effect of Pressure on Proton-Transfer Rate from a Photoacid to Ethanol Solution
Nahum Koifman, Boiko Cohen, and Dan Huppert
pp 4336 - 4344; 

Electron-Transfer (ET) Fluorescence Quenching in Benzonitrile. Evidence of an 
Intermolecular ET with  G < -0.5 eV being a Diffusion-Controlled Process
Taeko Inada, Koichi Kikuchi, Yasutake Takahashi, Hiroshi Ikeda, and Tsutomu 
Miyashi
pp 4345 - 4349; 

Theoretical Study of the Metal Oxidation Reaction Ti + O2 
TiO + O: Ab Initio Calculation of the Potential Energy Surface and Classical 
Trajectory Analysis
Hideo Sakurai and Shigeki Kato
pp 4350 - 4357; 

SPECTROSCOPY, GASEOUS CLUSTERS, AND MOLECULAR BEAMS

Potential Energy Surfaces and Dynamical Behavior of Two Rigidly Linked 
Bichromophoric Molecules Studied by CASSCF Computations and Ab Initio Classical 
Trajectory Simulations
Franck Jolibois, Michael J. Bearpark, and Michael A. Robb
pp 4358 - 4367; 

Internal Methyl Rotation in the CH Stretching Overtone Spectra of 2-, 3-, and 4-
Methylpyridine
Zimei Rong, Henrik G. Kjaergaard, and Bryan R. Henry
pp 4368 - 4376; 

KINETICS; ATMOSPHERIC AND ENVIRONMENTAL PHYSICAL CHEMISTRY

Theoretical Study of the Thermolysis Reaction of Ethyl  -Hydroxycarboxylates in 
the Gas Phase
Rafael Notario, Jairo Quijano, J. Camilo Quijano, Luisa P. Gutie'rrez,
Wilmar A. Sua'rez, Claudia Sa'nchez, Luis A. Leo'n, and Eduardo Chamorro
pp 4377 - 4383; 

Kinetics of OH Radical Reactions with Methane in the Temperature Range 295-660 K 
and with Dimethyl Ether and Methyl-tert-butyl Ether in the Temperature Range 
295-618 K
Ame'lie Bonard, Ve'ronique Dae"le, Jean-Louis Delfau, and Christian Vovelle
pp 4384 - 4389; 

Evidence for Low-Volatility Diacyl Peroxides as a Nucleating Agent and Major 
Component of Aerosol Formed from Reactions of O3 with Cyclohexene and Homologous 
Compounds
Paul J. Ziemann
pp 4390 - 4402; 

Some Complexities in the Reaction of Hydrogen Atoms Generated in H2 Discharge 
with Molecular Chlorine
Otto Dobis and Sidney W. Benson
pp 4403 - 4410; 

MOLECULAR STRUCTURE, BONDING, QUANTUM CHEMISTRY, AND GENERAL THEORY

Oxidative Degradation of Benzene in the Troposphere. Theoretical Mechanistic 
Study of the Formation of Unsaturated Dialdehydes and Dialdehyde Epoxides
Federica Motta, Giovanni Ghigo, and Glauco Tonachini
pp 4411 - 4422; 

The Interaction of Benzene with Chloro- and Fluoromethanes: Effects of 
Halogenation on CH/ Interaction
Seiji Tsuzuki, Kazumasa Honda, Tadafumi Uchimaru, Masuhiro Mikami, and
Kazutoshi Tanabe
pp 4423 - 4428; 

Theoretical Investigation of the Structure and Vibrational Spectrum of the 
Electronic Ground State  (1A') of HSiCl
J. Va'zquez and John F. Stanton
pp 4429 - 4434; 

On the Bonding Nature of the N5+(=N(N2)2+) Cation and Related Species N(CO)x+, 
N(NH3)x+, and NRx+, x = 1, 2 and R = He, Ne, Ar, Kr. Do We Really Need the 
Resonance Concept?
Ioannis S. K. Kerkines, Aristotle Papakondylis, and Aristides Mavridis
pp 4435 - 4442; 

Estimating Molecular Electronic Chemical Potential and Hardness from Fragments' 
Addition Schemes
Santanu Sengupta and Alejandro Toro-Labbe'
pp 4443 - 4446;